2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide

C12H13N3OS2 — CID 24692502

IUPAC2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
SMILESCc1ncsc1CCOc1cc(C(N)=S)ccn1
InChIInChI=1S/C12H13N3OS2/c1-8-10(18-7-15-8)3-5-16-11-6-9(12(13)17)2-4-14-11/h2,4,6-7H,3,5H2,1H3,(H2,13,17)
InChIKeyXYGLRUDQDGOJKO-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.10
Rot. Bonds5

About 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide

2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide (PubChem CID 24692502) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
PubChem CID24692502
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
SMILESCc1ncsc1CCOc1cc(C(N)=S)ccn1
InChIInChI=1S/C12H13N3OS2/c1-8-10(18-7-15-8)3-5-16-11-6-9(12(13)17)2-4-14-11/h2,4,6-7H,3,5H2,1H3,(H2,13,17)
InChIKeyXYGLRUDQDGOJKO-UHFFFAOYSA-N
XLogP2.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 114768080
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carbothioamide
CID 55260386
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 62948313
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 55181570
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62291596
5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
CID 61097252
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
CID 106201698
[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methanol
CID 107373137
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
CID 80859119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide (CID 24692502) is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide is Cc1ncsc1CCOc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
The InChIKey is XYGLRUDQDGOJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-8-10(18-7-15-8)3-5-16-11-6-9(12(13)17)2-4-14-11/h2,4,6-7H,3,5H2,1H3,(H2,13,17).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide has a molecular weight of 279.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide is sourced from PubChem (CID 24692502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).